3-dimethylphosphoryl-4-methylpyridazine

C7H11N2OP — CID 166171010

IUPAC3-dimethylphosphoryl-4-methylpyridazine
SMILESCc1ccnnc1P(C)(C)=O
InChIInChI=1S/C7H11N2OP/c1-6-4-5-8-9-7(6)11(2,3)10/h4-5H,1-3H3
InChIKeyVFFCJDHVJMLGMK-UHFFFAOYSA-N
MW170.15 g/mol
LogP1.03
Rot. Bonds1

About 3-dimethylphosphoryl-4-methylpyridazine

3-dimethylphosphoryl-4-methylpyridazine (PubChem CID 166171010) has the molecular formula C7H11N2OP and a molecular weight of 170.15 g/mol. Its IUPAC name is 3-dimethylphosphoryl-4-methylpyridazine.

Molecular Properties

Compound Name3-dimethylphosphoryl-4-methylpyridazine
PubChem CID166171010
Molecular FormulaC7H11N2OP
Molecular Weight170.15 g/mol
Exact Mass170.06
IUPAC Name3-dimethylphosphoryl-4-methylpyridazine
SMILESCc1ccnnc1P(C)(C)=O
InChIInChI=1S/C7H11N2OP/c1-6-4-5-8-9-7(6)11(2,3)10/h4-5H,1-3H3
InChIKeyVFFCJDHVJMLGMK-UHFFFAOYSA-N
XLogP1.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-dimethylphosphoryl-4-methylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-dimethylphosphoryl-4-methylpyridazine?
The IUPAC name of 3-dimethylphosphoryl-4-methylpyridazine (CID 166171010) is 3-dimethylphosphoryl-4-methylpyridazine.
What is the SMILES notation for 3-dimethylphosphoryl-4-methylpyridazine?
The canonical SMILES for 3-dimethylphosphoryl-4-methylpyridazine is Cc1ccnnc1P(C)(C)=O.
What is the InChIKey of 3-dimethylphosphoryl-4-methylpyridazine?
The InChIKey is VFFCJDHVJMLGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2OP/c1-6-4-5-8-9-7(6)11(2,3)10/h4-5H,1-3H3.
What are the key properties of 3-dimethylphosphoryl-4-methylpyridazine?
3-dimethylphosphoryl-4-methylpyridazine has a molecular weight of 170.15 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphoryl-4-methylpyridazine is sourced from PubChem (CID 166171010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).